CID 82408642

7-fluoro-1,3-benzothiazole-2-carbaldehyde

Structural Information

Molecular Formula
C8H4FNOS
SMILES
C1=CC2=C(C(=C1)F)SC(=N2)C=O
InChI
InChI=1S/C8H4FNOS/c9-5-2-1-3-6-8(5)12-7(4-11)10-6/h1-4H
InChIKey
FROUTQVGDBLQRG-UHFFFAOYSA-N
Compound name
7-fluoro-1,3-benzothiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.99976 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.00704 129.9
[M+Na]+ 203.98898 143.0
[M-H]- 179.99248 133.4
[M+NH4]+ 199.03358 152.8
[M+K]+ 219.96292 139.2
[M+H-H2O]+ 163.99702 123.9
[M+HCOO]- 225.99796 150.0
[M+CH3COO]- 240.01361 145.2
[M+Na-2H]- 201.97443 135.0
[M]+ 180.99921 134.0
[M]- 181.00031 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.